H3G
概要
| 表記: | (4-tert-butylpiperidin-1-yl)(phenyl)methanone |
| 組成式: | C16 H23 N O |
| 電荷: | 0 |
| 化学式量: | 245.36 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | (4-tert-butylpiperidin-1-yl)(phenyl)methanone |
| OpenEye OEToolkits | 2.0.6 | (4-~{tert}-butylpiperidin-1-yl)-phenyl-methanone |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N1(CCC(CC1)C(C)(C)C)C(=O)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H23NO/c1-16(2,3)14-9-11-17(12-10-14)15(18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3 |
| InChIKey | InChI | 1.03 | UVPFTRNYXLMKBI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2 |
